2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C11H15BrN2O5S — CID 17457625

IUPAC2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)CC(N)=O)cc1OC
InChIInChI=1S/C11H15BrN2O5S/c1-14(6-11(13)15)20(16,17)10-5-9(19-3)8(18-2)4-7(10)12/h4-5H,6H2,1-3H3,(H2,13,15)
InChIKeyBPNFFMSQOBQYBR-UHFFFAOYSA-N
MW367.22 g/mol
LogP0.57
Rot. Bonds6

About 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 17457625) has the molecular formula C11H15BrN2O5S and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID17457625
Molecular FormulaC11H15BrN2O5S
Molecular Weight367.22 g/mol
Exact Mass365.99
IUPAC Name2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)CC(N)=O)cc1OC
InChIInChI=1S/C11H15BrN2O5S/c1-14(6-11(13)15)20(16,17)10-5-9(19-3)8(18-2)4-7(10)12/h4-5H,6H2,1-3H3,(H2,13,15)
InChIKeyBPNFFMSQOBQYBR-UHFFFAOYSA-N
XLogP0.57
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 17457625) is 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1cc(Br)c(S(=O)(=O)N(C)CC(N)=O)cc1OC.
What is the InChIKey of 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BPNFFMSQOBQYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O5S/c1-14(6-11(13)15)20(16,17)10-5-9(19-3)8(18-2)4-7(10)12/h4-5H,6H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 367.22 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 17457625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).